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4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
SpectraBase Compound ID J9ptj05RSx3
InChI InChI=1S/C21H19Cl2N3O2/c1-10-19(11(2)25(24-10)9-14-5-6-15(22)8-16(14)23)26-20(27)17-12-3-4-13(7-12)18(17)21(26)28/h3-6,8,12-13,17-18H,7,9H2,1-2H3
InChIKey LECBQHOVUMTYCB-UHFFFAOYSA-N
Mol Weight 416.31 g/mol
Molecular Formula C21H19Cl2N3O2
Exact Mass 415.085432 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DEhemXTMLlL
Name 4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H19Cl2N3O2/c1-10-19(11(2)25(24-10)9-14-5-6-15(22)8-16(14)23)26-20(27)17-12-3-4-13(7-12)18(17)21(26)28/h3-6,8,12-13,17-18H,7,9H2,1-2H3
InChIKey LECBQHOVUMTYCB-UHFFFAOYSA-N
NMR Offset 17.9119
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33470
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1927511; SBI_ID: SBI-033474
Temperature 303 °C